JAIME GUSTAVO RODRIGUEZ ZAVALA wrote: > I?m trying to do some tests of fullerenes containing an encapsulated > Gd atom. Does anybody has a pseudopotential for Gd?
excerpt from a message I sent some time ago: --- as I already mentioned several times in this forum: the problem with such elements [rare earths] is not only the pseudopotential (which IS anyway a problem: generating ultrasoft PP's for those elements is a full-time job) but the reliability of the current DFT approximations. --- Paolo -- Paolo Giannozzi, Democritos and University of Udine, Italy
